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KANKANOL

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KANKANOL
SpectraBase Compound ID 4blGHPt9axE
InChI InChI=1S/C9H13ClO4/c10-6-2-4-1-5(11)9(12)3-13-8(14-6)7(4)9/h4-8,11-12H,1-3H2/t4-,5-,6+,7-,8+,9+/m1/s1
InChIKey XNCBYWDPTVQQQZ-ZLSXHNQQSA-N
Mol Weight 220.65 g/mol
Molecular Formula C9H13ClO4
Exact Mass 220.050237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AG9owLWTv7a
Name KANKANOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13ClO4
InChI InChI=1S/C9H13ClO4/c10-6-2-4-1-5(11)9(12)3-13-8(14-6)7(4)9/h4-8,11-12H,1-3H2/t4-,5-,6+,7-,8+,9+/m1/s1
InChIKey XNCBYWDPTVQQQZ-ZLSXHNQQSA-N
Literature Reference Author H.XIE,T.MORIKAWA,H.MATSUDA,S.NAKAMURA,O.MURAOKA,M.YOSHIKAWA
Literature Reference Citation CHEM.PHARM.BULL.,54,669(2006)
Literature Reference DOI 10.1248/cpb.54.669
Molecular Weight 220.653 g/mol
Sample ID 36908
Solvent CD3OD